1-(cyclooctanecarbonyl)piperidine-3-carbonitrile

C15H24N2O — CID 65018910

IUPAC1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H24N2O/c16-11-13-7-6-10-17(12-13)15(18)14-8-4-2-1-3-5-9-14/h13-14H,1-10,12H2
InChIKeyVUWDYGGWAMJRKX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds1

About 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile

1-(cyclooctanecarbonyl)piperidine-3-carbonitrile (PubChem CID 65018910) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
PubChem CID65018910
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H24N2O/c16-11-13-7-6-10-17(12-13)15(18)14-8-4-2-1-3-5-9-14/h13-14H,1-10,12H2
InChIKeyVUWDYGGWAMJRKX-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
CID 174175540
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile;ethane
CID 177000428
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile (CID 65018910) is 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile is N#CC1CCCN(C(=O)C2CCCCCCC2)C1.
What is the InChIKey of 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile?
The InChIKey is VUWDYGGWAMJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-11-13-7-6-10-17(12-13)15(18)14-8-4-2-1-3-5-9-14/h13-14H,1-10,12H2.
What are the key properties of 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile?
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctanecarbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 65018910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).